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<p>Yes, you may link to the 2 documents.</p>
<p><br>
</p>
<p>Yeah, I use those installation steps to get me quickly up and
running, but I do run siteconfig again to make adjustments as
needed whether that be adjusting NMATMAX per the "Site
configuration for WIEN2k" of the WIEN2k usersguide, for linking in
ELPA, adjusting the mpi remote configuration, and so on.<br>
</p>
<p><br>
</p>
<p>[1]
<a class="moz-txt-link-freetext" href="http://susi.theochem.tuwien.ac.at/reg_user/textbooks/usersguide.pdf">http://susi.theochem.tuwien.ac.at/reg_user/textbooks/usersguide.pdf</a><br>
</p>
<p><br>
</p>
<p>Gavin<br>
</p>
<p>WIEN2k user<br>
</p>
<p><br>
</p>
<div class="moz-cite-prefix">On 5/30/2023 3:23 AM, Peter Blaha
wrote:<br>
</div>
<blockquote type="cite"
cite="mid:091403f2-4078-f2d7-f7aa-1924498c0470@tuwien.ac.at">
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<p>Dear Gavin</p>
<p>Thank you very much for the detailed istallation descriptions.
It should be very useful for new users.</p>
<p>If you allow, I'll make a link at the installation page to
these 2 documents.<br>
</p>
<p><br>
</p>
<p>I've only one comment: You also installed the mpi version of
the code but you did not install ELPA.</p>
<p>Without ELPA the lapw1mpi code is quite slow and thus of
limited use.</p>
<p><br>
</p>
<p>I very much recommend to install ELPA if you want also the mpi
version of the code. Note, that this mpi-compilation is only
useful if you have a cluster with infiniband network or at least
a very powerful multicore workstation (probably min 16 cores). <br>
</p>
<p><br>
</p>
<p>Best regards</p>
<p>Peter Blaha<br>
</p>
<p><br>
</p>
<div class="moz-cite-prefix">Am 28.05.2023 um 20:10 schrieb Gavin
Abo:<br>
</div>
<blockquote type="cite"
cite="mid:676df189-428c-6bbb-4b4b-0011c9df4b6c@gmail.com">
<meta http-equiv="Content-Type" content="text/html;
charset=UTF-8">
<p>I was able to compile and link without any build errors a
fresh install of WIEN2k 23.2 using gfortran 11.3.0 in Ubuntu
22.04.2 LTS today. Should it be of interest to anyone
installing the 23.2 version of WIEN2k, the PDF in which I
recorded the steps should be at:<br>
</p>
<p><br>
</p>
<p><a class="moz-txt-link-freetext"
href="https://github.com/gsabo/WIEN2k-Docs/blob/main/WIEN2k23.2_Ubuntu22.04_Install_with_gfortran.pdf"
moz-do-not-send="true">https://github.com/gsabo/WIEN2k-Docs/blob/main/WIEN2k23.2_Ubuntu22.04_Install_with_gfortran.pdf</a><br>
</p>
<p><br>
</p>
<p>Kind Regards,</p>
<p>Gavin</p>
<p>WIEN2k user<br>
</p>
<p><br>
</p>
<div class="moz-cite-prefix">On 5/28/2023 9:57 AM, Ilias
Miroslav, doc. RNDr., PhD. wrote:<br>
</div>
<blockquote type="cite"
cite="mid:VI1PR0702MB356623C509368410E795899BF7459@VI1PR0702MB3566.eurprd07.prod.outlook.com">
<meta http-equiv="Content-Type" content="text/html;
charset=UTF-8">
<style type="text/css" style="display:none;">P {margin-top:0;margin-bottom:0;}</style>
<div style="font-family: Calibri, Arial, Helvetica,
sans-serif; font-size: 12pt; color: rgb(0, 0, 0);
background-color: rgb(255, 255, 255);"
class="elementToProof"> Hello,</div>
<div style="font-family: Calibri, Arial, Helvetica,
sans-serif; font-size: 12pt; color: rgb(0, 0, 0);
background-color: rgb(255, 255, 255);"
class="elementToProof"> <br>
</div>
<div style="font-family: Calibri, Arial, Helvetica,
sans-serif; font-size: 12pt; color: rgb(0, 0, 0);
background-color: rgb(255, 255, 255);"
class="elementToProof"> after lenghty compilation of Wien2k
the linking step crashed. It there a quick way just to fix
the linking command and relink the code for getting final
executables ?</div>
<div style="font-family: Calibri, Arial, Helvetica,
sans-serif; font-size: 12pt; color: rgb(0, 0, 0);
background-color: rgb(255, 255, 255);"
class="elementToProof"> <br>
</div>
<div style="font-family: Calibri, Arial, Helvetica,
sans-serif; font-size: 12pt; color: rgb(0, 0, 0);
background-color: rgb(255, 255, 255);"
class="elementToProof"> Wien2k setup offers only
recompilation of the whole bunch, without checking if files
were previously compiled.</div>
<div style="font-family: Calibri, Arial, Helvetica,
sans-serif; font-size: 12pt; color: rgb(0, 0, 0);
background-color: rgb(255, 255, 255);"
class="elementToProof"> <br>
</div>
<div style="font-family: Calibri, Arial, Helvetica,
sans-serif; font-size: 12pt; color: rgb(0, 0, 0);
background-color: rgb(255, 255, 255);"
class="elementToProof"> Best, Miro<br>
</div>
</blockquote>
<br>
<fieldset class="moz-mime-attachment-header"></fieldset>
<pre class="moz-quote-pre" wrap="">_______________________________________________
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</pre>
</blockquote>
<pre class="moz-signature" cols="72">--
-----------------------------------------------------------------------
Peter Blaha, Inst. f. Materials Chemistry, TU Vienna, A-1060 Vienna
Phone: +43-158801165300
Email: <a class="moz-txt-link-abbreviated moz-txt-link-freetext" href="mailto:peter.blaha@tuwien.ac.at" moz-do-not-send="true">peter.blaha@tuwien.ac.at</a>
WWW: <a class="moz-txt-link-freetext" href="http://www.imc.tuwien.ac.at" moz-do-not-send="true">http://www.imc.tuwien.ac.at</a> WIEN2k: <a class="moz-txt-link-freetext" href="http://www.wien2k.at" moz-do-not-send="true">http://www.wien2k.at</a>
------------------------------------------------------------------------</pre>
</blockquote>
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